Geometry & MOs

Info

ID:	252163
PubChem CID:	103109525
Reduced:	NOC5H5 (3)
Stoich.:	ABC5D5 (3)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-13.51
Dipole, Da:	4.27
IP(EA), eV:	-8.81(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pentanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)C2=CC=CC=C2N

DOS

IR

Vibrations